2,4-dihydroxy-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
Formula:C21H18N2O4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2,4-dihydroxy-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 2,4-dihydroxy-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide |
| MolecularFormula | C21H18N2O4 |
| Smiles | Oc(cc1)cc(O)c1C(N/N=C\c1cc(OCc2ccccc2)ccc1)=O |
| InChI | InChI=1S/C21H18N2O4/c24-17-9-10-19(20(25)12-17)21(26)23-22-13-16-7-4-8-18(11-16)27-14-15-5-2-1-3-6-15/h1-13,24-25H,14H2,(H,23,26) |
| InChIK | MPVBXJJZRAXJDY-UHFFFAOYSA-N |
| TotalMolweight | 362.384 |
| Molweight | 362.384 |
| MonoisotopicMass | 362.126658 |
| CLogP | 3.8583 |
| CLogS | -4.47 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 283.21 |
| Relative PSA | 0.25497 |
| PolarSurfaceArea | 91.15 |
| Druglikeness | 4.0044 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2,4-dihydroxy-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide | 2 - 2,4-dihydroxy-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
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